2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide

C12H15ClN4O — CID 79291879

IUPAC2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(CCCl)nc2cnccc21
InChIInChI=1S/C12H15ClN4O/c1-16(2)12(18)8-17-10-4-6-14-7-9(10)15-11(17)3-5-13/h4,6-7H,3,5,8H2,1-2H3
InChIKeyOAWOGFDEEHRRRE-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.30
Rot. Bonds4

About 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 79291879) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID79291879
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(CCCl)nc2cnccc21
InChIInChI=1S/C12H15ClN4O/c1-16(2)12(18)8-17-10-4-6-14-7-9(10)15-11(17)3-5-13/h4,6-7H,3,5,8H2,1-2H3
InChIKeyOAWOGFDEEHRRRE-UHFFFAOYSA-N
XLogP1.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
2-(2-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326595
2-(2-chloroethyl)-1-(2,3,3-trimethylbutyl)imidazo[4,5-c]pyridine
CID 83143728
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N,N-dimethylacetamide
CID 66082419
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
2-(2-chloroethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79291836
2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79292646
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
2-(2-chloroethyl)-1-(3-methylpentan-3-yl)imidazo[4,5-c]pyridine
CID 106330443
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 79291879) is 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(CCCl)nc2cnccc21.
What is the InChIKey of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is OAWOGFDEEHRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-16(2)12(18)8-17-10-4-6-14-7-9(10)15-11(17)3-5-13/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 266.73 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 79291879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).